nan ye
State University of New York System
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Featured researches published by nan ye.
Journal of Chemical Physics | 1977
J. S. Ho; ye; G. Stell
An analytic study is made of the thermodynamic properties of the mean spherical approximation for a simple fluid and simple fluid mixtures. It immediately suggests several improved approximations.
Journal of Chemical Physics | 1980
J. S. Ho; ye; G. Stell
The dielectric properties of a classical system of interacting particles, each bearing a permanent dipole moment and thermally fluctuating polarizability, is considered. It is shown how a useful class of approximations initially defined for a system of nonpolarizable particles can be generalized to include fluctuating polarizability. For the case in which the mean polarization of an isolated particle is linear in applied field (i.e., harmonic fluctuations) it is further shown that the dielectric constant can be explicitly computed in these approximations, which include the mean spherical approximation and the single super‐chain approximation (equivalent to the ’’reference’’ version of the linearized hypernetted chain approximation). The resulting e is identical to that in a corresponding approximation defined for dipolar particles with nonfluctuating polarizability. In the limit of a closed‐packed system of nonpolar particles with cubic symmetry, it is found that the resulting approximations for e all red...
Journal of Chemical Physics | 1976
Johan S. Ho; ye; G. Stell
A general formalism developed by us earlier is used to obtain an expression for the dielectric constant of a diatomic polar fluid in terms of atom–atom correlation functions. These functions are then shown to be of comparatively short range, decaying line r−6 for large r for almost all densities and temperatures.
Journal of Chemical Physics | 1977
J. S. Ho; ye; G. Stell
A general approximation scheme for the pair correlation function of fluids at equilibrium is discussed, and two new specific approximations that come out of it—one for polar fluids and one for ionic fluids—are introduced. The approximation scheme, developed for hard‐core particles, is based upon the replacement of the actual structure of the Ornstein–Zernike direct correlation function c (12) outside the core by a form that can be wholly characterized in terms of its poles in Fourier space. The locations and residues of the poles are constrained by thermodynamic self‐consistency; the approximate scheme is designated as the self‐consistent Ornstein–Zernike approximation (SCOZA) scheme.
Journal of Chemical Physics | 1981
J. S. Ho; ye; G. Stell
The quantum statistical mechanics of a polarizable fluid model is considered using a path‐integral approach. The quantum mechanical partition function associated with the internal degrees of freedom of each molecule is approximated by a classical partition function of a polymer ring, while the center‐of‐mass motion of each molecule is treated classically. The resulting system of particles can be described by an Ornstein–Zernike equation, which we solve analytically in the mean spherical approximation. We give the dielectric constant, free energy, and internal energy of our model in both its continuum‐fluid and lattice‐gas versions. (In the former we assume hard‐sphere cores; in both versions we take harmonically oscillating dipole moments as characterizing the internal degrees of freedom, with ideal dipole–dipole intermolecular coupling.)
Journal of Chemical Physics | 1980
J. S. Ho; ye; G. Stell
We have succeeded in deriving microscopically, from the statistical mechanics of a molecular fluid, the thermodynamic relations associated with the dielectric properties of a continuous dielectric medium in the presence of a static electric field, as given, e.g., by Landau and Lifshitz. We do this by extending our earlier formally exact treatment of dipolar fluids in the absence of an electric field to the case in which such a field is present. We begin by giving the dielectric tensor in terms of the pair correlation function and then show the way various thermodynamic quantities of interest are related to the field strength and chemical potentials. In the weak‐field case our results are explicit and include the effects of polarizability as well as a generalization from the fluid to an anisotropic crystal. They are given in two separate developments, one of which yields directly a set of purely thermodynamic results that involve the orientation distribution only through the local number density and the po...
Journal of Chemical Physics | 1984
J. S. Ho; ye; G. Stell
We make a systematic study of the distortion induced by a strong electric field on the orientationally averaged particle–particle correlations in a fluid. Such distortion occurs even for nonpolar particles with linear scalar polarizability and gives rise to the Kerr effect (which in general has other contributions as well). After obtaining our general result we consider explicitly its low‐density contribution to the Kerr constant and its behavior in the critical region.
Journal of Chemical Physics | 1982
J. S. Ho; ye; G. Stell
The Ho/ye–Stell statistical mechanical treatment of dielectrics is extended to yield a quantitatively useful theory of the refractive index and related aspects of light scattering.
Journal of Chemical Physics | 1982
J. S. Ho; ye; G. Stell
A method for generating Dyson equations for two‐particle fluid correlation functions is applied to the case of ionic and polar fluids to systematically yield a sequence of approximations that go beyond the lowest‐order gamma‐ordered approximation. The first two such approximations are given here. For the simplest class of such fluid models—those having hard‐core potentials and a high degree of symmetry (e.g., the restricted primitive model, dipolar spheres)—the first of these approximations, the linear hypervertex approximation, is used to derive explicit expressions for thermodynamic quantities and the dielectric constant in terms of the hypervertex function, the hard‐sphere reference correlation function, the perturbing pair potential, and the state of the fluid (e.g., the temperature and density of species).
Journal of Chemical Physics | 1981
J. S. Ho; ye; G. Stell
A simple classical description of the dependence of the pair polarizability upon distance for the monatomics is developed through the extension of the authors’ earlier theory of fluctuating polarizability. The result is shown to yield an analytically tractable theory for the dielectric constant of a fluid of such molecules.